1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

C17H29IN4O2 — CID 110913764

IUPAC1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1.I
InChIInChI=1S/C17H28N4O2.HI/c1-22-11-8-19-17(18)20-13-16(21-9-3-4-10-21)14-6-5-7-15(12-14)23-2;/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H3,18,19,20);1H
InChIKeyAWGXNWKRHLMBFB-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.00
Rot. Bonds8

About 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (PubChem CID 110913764) has the molecular formula C17H29IN4O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
PubChem CID110913764
Molecular FormulaC17H29IN4O2
Molecular Weight448.35 g/mol
Exact Mass448.13
IUPAC Name1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1.I
InChIInChI=1S/C17H28N4O2.HI/c1-22-11-8-19-17(18)20-13-16(21-9-3-4-10-21)14-6-5-7-15(12-14)23-2;/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H3,18,19,20);1H
InChIKeyAWGXNWKRHLMBFB-UHFFFAOYSA-N
XLogP2.00
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine
CID 110913763
1,3-diethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110924791
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914487
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111030435
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111030442
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine
CID 52502154
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029765
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111030447
1-(3-methoxyphenyl)-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111085938

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (CID 110913764) is 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is COCCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The InChIKey is AWGXNWKRHLMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.HI/c1-22-11-8-19-17(18)20-13-16(21-9-3-4-10-21)14-6-5-7-15(12-14)23-2;/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 110913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).